SCHEMBL3378717

SCHEMBL3378717

CC(C)(O)c1ncccc1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.39
NOS1 P29475 2/20 0.39
NOS2 P35228 2/20 0.39
HSP90AA1 P07900 4/20 0.36
HSP90AB1 P08238 3/20 0.36
IDO1 P14902 1/20 0.36
PSMB5 P28074 1/20 0.36
TRPV1 Q8NER1 1/20 0.35
KMT2A Q03164 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C19 P33261 2/20 0.35
TSHR P16473 1/20 0.35
GRM4 Q14833 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 2/20 0.34
HTT P42858 2/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
BLM P54132 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7803270 0.83 NOS3 (0.41) NOS3NOS1NOS2HSP90AA1HSP90AB1
SCHEMBL20689253 0.79 NOS3 (0.39) NOS3NOS1NOS2HSP90AA1HSP90AB1
SCHEMBL24131411 0.79 HSP90AA1 (0.37) NOS3NOS1NOS2HSP90AA1HSP90AB1
SCHEMBL5038676 0.77 ALDH1A1 (0.44) IDO1KMT2ACYP3A4CYP2C19TSHR
SCHEMBL30816293 0.77 NOS3 (0.50) NOS3NOS1NOS2HSP90AA1CYP3A4
SCHEMBL130124 0.77 NOS3 (0.50) NOS3NOS1NOS2HSP90AA1CYP3A4
SCHEMBL20686331 0.76 NOS3 (0.36) NOS3NOS1NOS2HSP90AA1HSP90AB1
SCHEMBL18668145 0.75 HSD11B1 (0.39) HSP90AA1TRPV1KMT2ACYP3A4CYP2C19
SCHEMBL24858173 0.75 CA2 (0.41) KMT2ACYP3A4CYP2C19TSHRGRM4
SCHEMBL23126660 0.75 ACSS2 (0.36) TRPV1CYP3A4CYP2C19TSHRGRM4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230293527-A1 TREATMENT OF INFLAMMATORY DISORDERS ALDEYRA THERAPEUTICS, INC. 2023-09-21 US disclosed
US-20230293535-A1 ERBB/BTK INHIBITORS DIZAL JIANGSU PHARMACEUTICAL CO LTD (CN) 2023-09-21 US disclosed
US-20230293535-A1 ERBB/BTK INHIBITORS DIZAL JIANGSU PHARMACEUTICAL CO LTD (CN) 2023-09-21 US disclosed
US-20230293527-A1 TREATMENT OF INFLAMMATORY DISORDERS ALDEYRA THERAPEUTICS, INC. 2023-09-21 US disclosed
US-11724987-B2 Compositions and methods of treating retinal disease ALDEYRA THERAPEUTICS, INC. (US) 2023-08-15 US disclosed
US-20230248727-A1 TREATMENT OF INFLAMMATORY DISORDERS ALDEYRA THERAPEUTICS, INC. 2023-08-10 US disclosed
US-20230248727-A1 TREATMENT OF INFLAMMATORY DISORDERS ALDEYRA THERAPEUTICS, INC. 2023-08-10 US disclosed
US-20230056447-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-02-23 US disclosed
US-11583529-B2 Treatment of inflammatory disorders ALDEYRA THERAPEUTICS, INC. (US) 2023-02-21 US disclosed
US-20220133697-A1 INJECTABLE FORMULATIONS ALDEYRA THERAPEUTICS, INC. 2022-05-05 US disclosed
US-20150209345-A1 COMPOSITIONS AND METHODS OF TREATING RETINAL DISEASE ALDEYRA THERAPEUTICS, INC. (F/K/A ALDEXA THERAPEUTICS, INC. F/K/A NEURON SYSTEMS, INC.) 2015-07-30 US disclosed
US-20150209333-A1 COMPOSITIONS AND METHODS OF TREATING RETINAL DISEASE ALDEYRA THERAPEUTICS, INC. (F/K/A ALDEXA THERAPEUTICS, INC. F/K/A NEURON SYSTEMS, INC.) 2015-07-30 US disclosed
US-8940764-B2 Compositions and methods of treating retinal disease ALDEXA THERAPEUTICS, INC. (US) 2015-01-27 US disclosed
US-8940721-B2 Compositions and methods of treating retinal disease ALDEXA THERAPEUTICS, INC. (US) 2015-01-27 US disclosed
US-20110263645-A1 Compositions and Methods of Treating Retinal Disease NEURON SYSTEMS, INC. (US) 2011-10-27 US disclosed
US-7973025-B2 Compositions and methods of treating retinal disease NEURON SYSTEMS, INC. (US) 2011-07-05 US disclosed
US-20100160304-A1 AROMATIC SULFONE COMPOUND AS ALDOSTERONE RECEPTOR MODULATOR DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2010-06-24 US disclosed
US-20090182009-A1 Compositions and methods of treating retinal disease NEURON SYSTEMS, INC. (US) 2009-07-16 US disclosed
EP-1844768-A1 AROMATIC SULFONE COMPOUND AS ALDOSTERONE RECEPTOR MODULATOR Dainippon Sumitomo Pharma Co., Ltd. (JP) 2007-10-17 EP disclosed
US-20070135481-A1 Compositions and methods of treating retinal disease ALDEYRA THERAPEUTICS, INC. (F/K/A ALDEXA THERAPEUTICS, INC. F/K/A NEURON SYSTEMS, INC.) 2007-06-14 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150209345-A1 COMPOSITIONS AND METHODS OF TREATING RETINAL DISEASE ALDH1A2, CLN6, PLA2G2E NOS3 1235/4885NOS1 2152/4885NOS2 1249/4885
US-20090182009-A1 Compositions and methods of treating retinal disease ALDH1A2, PLA2G2E, CLN6 NOS3 1312/4885NOS1 2156/4885NOS2 1279/4885
US-11724987-B2 Compositions and methods of treating retinal disease ALDH1A2, PLA2G2E, CLN6 NOS3 1312/4885NOS1 2156/4885NOS2 1279/4885
US-20230293527-A1 TREATMENT OF INFLAMMATORY DISORDERS TNF, NFKBIA, LTB4R2 NOS3 296/4885NOS1 571/4885NOS2 261/4885
US-11583529-B2 Treatment of inflammatory disorders TNF, NFKBIA, LTB4R2 NOS3 296/4885NOS1 571/4885NOS2 261/4885
US-20220133697-A1 INJECTABLE FORMULATIONS ALDH2, CLN6, ALDH1A1 NOS3 1207/4885NOS1 1274/4885NOS2 1131/4885
US-20150209333-A1 COMPOSITIONS AND METHODS OF TREATING RETINAL DISEASE ALDH1A2, PLA2G2E, CLN6 NOS3 1312/4885NOS1 2156/4885NOS2 1279/4885
US-20100160304-A1 AROMATIC SULFONE COMPOUND AS ALDOSTERONE RECEPTOR MODULATOR NR3C2, AGTR1, AGTR2 NOS3 442/4885NOS1 880/4885NOS2 1398/4885
US-20070135481-A1 Compositions and methods of treating retinal disease ALDH1A2, PLA2G2E, CLN6 NOS3 1312/4885NOS1 2156/4885NOS2 1279/4885
US-20230248727-A1 TREATMENT OF INFLAMMATORY DISORDERS TNF, NFKBIA, LTB4R2 NOS3 296/4885NOS1 571/4885NOS2 261/4885
US-20230056447-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 NOS3 4412/4885NOS1 4483/4885NOS2 4218/4885
US-20110263645-A1 Compositions and Methods of Treating Retinal Disease ALDH1A2, CLN6, PLA2G2E NOS3 1235/4885NOS1 2152/4885NOS2 1249/4885
US-20230293535-A1 ERBB/BTK INHIBITORS ERBB2, BTK, ERBB3 NOS3 4525/4885NOS1 4691/4885NOS2 4593/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.